N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3-ethoxy-benzamide

Systemtic Name: N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3-ethoxy-benzamide Openeye Name: N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3-ethoxy-benzamide CAS Name: N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)-9-purinyl]-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]-3-ethoxybenzamide IUPAC Name: N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-ethoxybenzamide Traditional Name: 3-ethoxy-N-[(2R,3R,4S,5R)-4-hydroxy-5-methylol-2-[6-(piperonylamino)purin-9-yl]tetrahydrofuran-3-yl]benzamide Formula: C27H28N6O7 MolecularWeight: 548.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC2C(C(OC2N3C=NC4=C3N=CN=C4NCC5=CC6=C(C=C5)OCO6)CO)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=CN=C4NCC5=CC6=C(C=C5)OCO6)CO)O

InChI

InChI=1S/C27H28N6O7/c1-2-37-17-5-3-4-16(9-17)26(36)32-21-23(35)20(11-34)40-27(21)33-13-31-22-24(29-12-30-25(22)33)28-10-15-6-7-18-19(8-15)39-14-38-18/h3-9,12-13,20-21,23,27,34-35H,2,10-11,14H2,1H3,(H,32,36)(H,28,29,30)/t20-,21-,23-,27-/m1/s1